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Home > Boronic Acids > 1451391-16-4
1451391-16-4 | 2,4-Difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CAS No: 1451391-16-4 Catalog No: AG00HXDD MDL No:MFCD16996285
Product Description
Catalog Number:
AG00HXDD
Chemical Name:
2,4-Difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CAS Number:
1451391-16-4
Molecular Formula:
C12H15BF2O3
Molecular Weight:
256.0535
MDL Number:
MFCD16996285
IUPAC Name:
2,4-difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI:
InChI=1S/C12H15BF2O3/c1-11(2)12(3,4)18-13(17-11)8-5-7(14)6-9(15)10(8)16/h5-6,16H,1-4H3
InChI Key:
LXRKTJYRVGXRII-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(c(c1)B1OC(C(O1)(C)C)(C)C)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.056g/mol
Monoisotopic Mass:
256.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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